B95GVL
  -OEChem-04022108183D

 20 21  0     0  0  0  0  0  0999 V2000
    0.9589    0.8847   -0.3004 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6008   -0.3439    0.0830 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7536    1.5738   -0.5680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7078   -0.6513   -0.8830 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    0.3885   -0.1583 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.1394   -0.3539    0.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5530   -0.0908    0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5085   -1.5056    0.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3064   -0.1190    0.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9254   -1.3696    0.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1358    0.9273    0.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3752   -0.8447   -0.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5038    1.1571    0.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2387    0.3472   -0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013   -2.4071    0.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6195   -2.1578    0.7285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5459    1.5478    1.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843   -1.6531   -1.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9802    1.9436    1.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3092    0.4852   -0.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END

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